柔性有机分子材料、纳米分子材料、太阳能电池材料、生物传感器等。
近年来在Nature Communication、Journal of America. Chemical. Society, Journal of Chemical
Theory and Computation, Journal of Computational Chemistry等国际权威SCI期刊上发表学术论文20余篇。申请专利1项,撰写英文专著1章。
国际自然科学基金青年基金,激发态能量转移理论的开发及其在柔性大分子和纳米分子材料中的应用,(21503114)负责人,在研。
Lei Yang, Linghai Xie, Ying Wei, Yuyu Liu, Murali Devi,
Wei Huang, 《Encyclopedia of Physical Organic Chemistry》第三章《Steric Strain in Molecular Organics》
1. Dongqing Lin, Ying Wei, Aizhong Peng, He Zhang, Chunxiao
Zhong, Dan Lu, Hao Zhang, Xiangping Zheng, Lei Yang, Quanyou Feng, Linghai Xie,
Wei Huang, “Stereoselective gridization and polygridization with
centrosymmetric molecular packing”, Nature Comm., 2020, 11, 1756.
2. Quanyou Feng, Lei Yang, Yongliang Zhong, Dong Guo, Guoliang
Liu, Linghai Xie, Wei Huang, Rong Tong, “Stereoselective photoredox
ring-opening polymerization of O-carboxyanhydrides”, Nature Comm., 2019, 9,
1559.
3. Lei Yang, Stefano Caprasecca, Benedetta Mennucci and Seogjoo
Jang “Theoretical investigation of the mechanism and dynamics of intramolecular
coherent resonance energy transfer in soft molecules: A case study of
dithia-antracenophane ” J. Am. Chem. Soc. 2010, 132(47), 16911-16921.
4. Lei Yang, Jie Mao, Chengzhu Lin, Mohamad Akbar Ali, Xiangping
Wu, Chaoyao Dong, Yuyu Liu, Linghai Xie, Xueqin Ran, Wei Huang, “Novel structure
of grid spirofluorene: A new organic semiconductor with low reorganization
energy”, New Journal of Chemistry, 2019, 43 (20), 7790-7796.
5. Lei Yang, Chengzhu Yin. Mohamad Akbar Ali, Chaoyang Dong,
Xinmiaoxie, Xiangping wu, Yongxia Wang, Yang Yu, Linghai Xie, Linyi Bian, Jianmin
Bao, Wei Huang, “Theoretical studies on Novel grdspiroarenes: Stuctures,
noncovalent interactions and reorganization energies”, Chinese Journal of
Chemistry, 2019, 37, 915-921.
6. Lei Yang, Jie Mao, Cheng-Zhu Yin, Xiang-Ping Wu, Yu-Yu Liui,
Ling-Hai Xie, Xue-Qin Ran, Wei Huang, “Theoretical studies on
4H-cyclopenta[2,1-b:3,4-b’]dithiophene-based windmill-shaped nanogrids with low
reorganization energies”, Chem. Phys., 2019, 191-198.
7. Changjin Ou, Can Zhu, Xuehua Ding, Lei Yang, Jinyi Lin,
Linghai Xie, Yan Qian, ChunXiang Xu, Jianfeng Zhao, Wei Huang, “Dimerization
Effect of Fluorene-Based Semiconductors on Conformational Planarization for
Microcrystal Lasing”, J. Mat. Chem. C, 2017, 5, 5345-5355.
8. Naien Shi, Dong Liu, Xiaolei Jin, Wandan Wu, Jun Zhang,
Mingdong Yi, Linghai Xie, Fengning Guo, Lei Yang, Changjin Ou, Wei Xue, Wei
Huang, “Floating-gate nanofibrous electret arrays for high performance
nonvolatile organic transistor memory devices”, Org. Elec., 2017, 49,
218-275.
9. Yuyu Liu, Jiewei Li, Yifan Bo, Lei Yang, Xiaofei Zhang,
Linghai Xie, Yiming Dong, Wei Huang, “Theoretical Studies on the Structures and
Opto-Electronic Properties of Fluorene-Based Strained Semiconductors”, Acta
Phys. -Chim Sin. 2017, 33, 1803-1810.
10. Yuyu Liu, Lei Yang, Xiaofei Zhang,
Jiewei Li, Linghai Xie, Mingdong Yi, Wei Huang, “Theoretical study of σ-π
conjugated semiconductors based on cis- and trans-cyclopropane derivatives”,
Gen. Chem. 2015, 1, 8.
11. Lei Yang, Yuyu Liu, Xuemei Duan, “Mechanisms and kinetics of
the reaction CHClBr +NO2”, Chem. Res. Chin. Univ., 2015, 31, 1018.
12. Lei Yang, Jason A. Sonk, John R. Barker “HO + OClO reaction
system: Featuring a barrierless entrance channel with two transition states”,
J. Phys. Chem. A 2015(22), 119, 5723-5731.
13. Lei Yang, Jing-yao Liu, Cheng Luo, John R. Barker “Theoretical
study on the kinetics of the reaction CH2Br+NO2” J. Phys Chem A 2014, 118(18),
3313-3318.
14. Lei Yang, Murali Devi and Seogjoo Jang “Polaronic quantum
master equation theory of inelastic and coherent resonance energy transfer for
soft system” J. Chem. Phys. 2012, 137(2), 024101.
15. Lei Yang, Jing-yao Liu, Su-qin Wan, and Ze-sheng Li
“Theoretical studies of the reactions of CF3CHClOCHF2/CF3CHFOCHF2 with OH
radical and Cl atom and their product radicals with OH” J. Comput. Chem. 2009,
30(4), 565-580.
16. Hong-xia Liu, Ying Wang, Lei Yang, Jing-yao Liu, Hong Gao,
Ze-sheng Li, and Chia-Chung Sun “CH3NHNH2+OH reaction Mechanism and Dynamics
Studies” J. Comput. Chem. 2009, 30(14), 2194-2204.
17. Lei Yang, Jing-yao Liu, and Ze-sheng Li “Computational
studies on the mechanisms and dynamics of OH reactions of OH reactions with
CHF2CHFOCF3 and CHF2CH2OCF3 ” J. Chem. Theory. Comput. 2008, 4(7),
1073-1082.
18. Lei Yang, Jing-yao Liu, Li Wang, Hong-qing He, Ying Wang,
and Ze-sheng Li “Theoretical study of the reactions CF3CH2OCHF2 + OH/Cl and its
product radicals and parent ether (CH3CH2OCH3) with OH” J. Comput. Chem. 2008,
29(4), 550-561.
19. Lei Yang, Jing-yao Liu, and Ze-sheng Li “Theoretical studies
of the reaction of hydroxyl radical with Methyl Acetate” J. Phys. Chem. A 2008,
112(28), 6364-6372.
20. Hong Gao, Ying Wang, Jing-yao Liu, Lei Yang, Ze-sheng Li,
and chia-chung Sun “direct dynamics study on hydrogen abstraction reaction of
1,1,2,2,3-fluorinated propane with hydroxyl radical” J. Phys. Chem. A 2008,
112(18), 4176-4185.
21. Ying Wang, Jing-yao Liu, Lei Yang, Xiao-lei Zhao, Yue-meng
Ji, and Ze-sheng Li “Direct dynamics studies on hydrogen abstraction reactions
of CH3CHFCH3 and CH3CH2CH2F with OH radicals” J. Phys. Chem. A 2007, 111(32),
7761-7770.
22. Lei Yang, Hong-qing He, Yue-meng Ji, Jing-yao Liu, and
Ze-sheng Li “Direct ab initio dynamics calculations of the rate constants for
the reaction of CHF2CF2OCH3 with Cl” Int. J. Chem. Kinet. 2007, 39(4),
221-230.
23. Ying Wang, Jing-yao Liu, Lei Yang, Xiao-lei Zhao, Yue-Meng
Ji, and Ze-sheng Li “Theoretical studies and rate constant calculations of the
reactions C2F5CHO with OH radicals and Cl atoms” J. Mol. Struct. (Theochem)
2007, 820(1-3), 26-34.